6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H23N5O2 — CID 95228728

IUPAC6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)N[C@@H](C)CO)cnn2c1
InChIInChI=1S/C15H23N5O2/c1-4-19(5-2)8-12-6-16-14-13(7-17-20(14)9-12)15(22)18-11(3)10-21/h6-7,9,11,21H,4-5,8,10H2,1-3H3,(H,18,22)/t11-/m0/s1
InChIKeyVMTKYBAXSFYBFQ-NSHDSACASA-N
MW305.38 g/mol
LogP0.68
Rot. Bonds7

About 6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 95228728) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID95228728
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)N[C@@H](C)CO)cnn2c1
InChIInChI=1S/C15H23N5O2/c1-4-19(5-2)8-12-6-16-14-13(7-17-20(14)9-12)15(22)18-11(3)10-21/h6-7,9,11,21H,4-5,8,10H2,1-3H3,(H,18,22)/t11-/m0/s1
InChIKeyVMTKYBAXSFYBFQ-NSHDSACASA-N
XLogP0.68
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(diethylaminomethyl)-N-(1-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56758821
6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95210862
6-(diethylaminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56703054
6-(diethylaminomethyl)-N,N-diethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702378
6-(diethylaminomethyl)-N-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56717535
6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56710203
6-(diethylaminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56738525
6-(diethylaminomethyl)-N-(2-pyrazol-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56700485
6-(diethylaminomethyl)-N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56756831
6-(diethylaminomethyl)-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702799
6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95191660
azonan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 56711222

Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 95228728) is 6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)N[C@@H](C)CO)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VMTKYBAXSFYBFQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N5O2/c1-4-19(5-2)8-12-6-16-14-13(7-17-20(14)9-12)15(22)18-11(3)10-21/h6-7,9,11,21H,4-5,8,10H2,1-3H3,(H,18,22)/t11-/m0/s1.
What are the key properties of 6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 95228728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).